Information card for entry 1542648

Structure parameters

• Formula: C16 H8 Ag Br F8 N2
• Calculated formula: C16 H8 Ag Br F8 N2
• SMILES: [Ag]1([n]2c3c4[n]1cccc4ccc3ccc2)C(F)(F)C(F)(F)C(F)(F)C(Br)(F)F
• Title of publication: Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.
• Authors of publication: Kaplan, Peter T.; Vicic, David A.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 884 - 886
• a: 6.8291 ± 0.0007 Å
• b: 15.1012 ± 0.0015 Å
• c: 16.8892 ± 0.0018 Å
• α: 90°
• β: 100.705 ± 0.003°
• γ: 90°
• Cell volume: 1711.4 ± 0.3 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No